SCHEMBL3024546

SCHEMBL3024546

CN1C(=O)C(C)(Cc2ccccc2)N(C)C(=O)C1=Cc1ccccc1C#N

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
ELANE P08246 3/20 0.34
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2R P25116 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 2/20 0.32
PIM1 P11309 1/20 0.32
BACE1 P56817 1/20 0.32
NOX4 Q9NPH5 1/20 0.31
NOX1 Q9Y5S8 1/20 0.31
NR3C1 P04150 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3024543 1.00 HDAC1 (0.35) HDAC1ELANEALDH1A1HPGDMAPT
SCHEMBL3026279 0.91 LMNA (0.42) HDAC1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3026281 0.91 LMNA (0.42) HDAC1ALDH1A1HPGDMAPTKDM4E
SCHEMBL3795118 0.91 IDH1 (0.36) HDAC1NPSR1BACE1
SCHEMBL3795119 0.91 IDH1 (0.36) HDAC1NPSR1BACE1
SCHEMBL3803262 0.90 HDAC1 (0.34) HDAC1SMN1; SMN2TSHRBACE1
SCHEMBL3803259 0.90 HDAC1 (0.34) HDAC1SMN1; SMN2TSHRBACE1
SCHEMBL2166881 0.89 HDAC1 (0.34) HDAC1ELANEALDH1A1HPGDMAPT
SCHEMBL3795535 0.89 ELANE (0.34) ELANEALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL2792341 0.89 HDAC1 (0.35) HDAC1ELANEALDH1A1HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US claimed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US claimed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP claimed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP claimed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO claimed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO claimed
US-20100190794-A1 Herbicidally Active Composition BASF SE (DE) 2010-07-29 US disclosed
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action BASF SE (DE) 2010-07-08 US disclosed
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action BASF SE (DE) 2010-06-17 US disclosed
EP-2157856-A1 HERBICIDALLY EFFECTIVE COMPOSITION Basf Se (DE) 2010-03-03 EP disclosed
EP-2054394-B1 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2009-11-18 EP disclosed
EP-2054395-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
EP-2054394-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION Basf Se (DE) 2009-05-06 EP disclosed
WO-2008152074-A1 HERBICIDALLY EFFECTIVE COMPOSITION BASF SE (DE) 2008-12-18 WO disclosed
WO-2008152073-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO disclosed
WO-2008152072-A2 PIPERAZINE COMPOUNDS WITH A HERBICIDAL ACTION BASF SE (DE) 2008-12-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152047-A1 Piperazine Compounds Whith a Herbicidal Action CBR3, CBR1, CNPY2 HDAC1 937/4885ELANE 3135/4885ALDH1A1 983/4885
US-20100190794-A1 Herbicidally Active Composition ECI1, ACLY, SQOR HDAC1 3695/4885ELANE 4638/4885ALDH1A1 1128/4885
US-20100173777-A1 Piperazine Compounds Having Herbicidal Action CBR3, CBR1, CNPY2 HDAC1 723/4885ELANE 2590/4885ALDH1A1 1174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.